4-cyclobutyl-5-(3,3-difluorocyclobutyl)-N,2-dimethylpyrazol-3-amine

C13H19F2N3 — CID 169169353

IUPAC4-cyclobutyl-5-(3,3-difluorocyclobutyl)-N,2-dimethylpyrazol-3-amine
SMILESCNc1c(C2CCC2)c(C2CC(F)(F)C2)nn1C
InChIInChI=1S/C13H19F2N3/c1-16-12-10(8-4-3-5-8)11(17-18(12)2)9-6-13(14,15)7-9/h8-9,16H,3-7H2,1-2H3
InChIKeyJJPAMTKGAOOAPV-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.24
Rot. Bonds3

About 4-cyclobutyl-5-(3,3-difluorocyclobutyl)-N,2-dimethylpyrazol-3-amine

4-cyclobutyl-5-(3,3-difluorocyclobutyl)-N,2-dimethylpyrazol-3-amine (PubChem CID 169169353) has the molecular formula C13H19F2N3 and a molecular weight of 255.31 g/mol. Its IUPAC name is 4-cyclobutyl-5-(3,3-difluorocyclobutyl)-N,2-dimethylpyrazol-3-amine.

Molecular Properties

Compound Name4-cyclobutyl-5-(3,3-difluorocyclobutyl)-N,2-dimethylpyrazol-3-amine
PubChem CID169169353
Molecular FormulaC13H19F2N3
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name4-cyclobutyl-5-(3,3-difluorocyclobutyl)-N,2-dimethylpyrazol-3-amine
SMILESCNc1c(C2CCC2)c(C2CC(F)(F)C2)nn1C
InChIInChI=1S/C13H19F2N3/c1-16-12-10(8-4-3-5-8)11(17-18(12)2)9-6-13(14,15)7-9/h8-9,16H,3-7H2,1-2H3
InChIKeyJJPAMTKGAOOAPV-UHFFFAOYSA-N
XLogP3.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrazole, 3-pentafluoroethyl-4-trifluoromethyl-1-methyl-5-methylamino-
CID 626727
4-(tert-butyl)-3-(3,3-difluorocyclobutyl)-1-methyl-1H-pyrazol-5-amine
CID 169169260
N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide
CID 169169267
4-Cyclobutyl-5-(4,4-difluorocyclohexyl)-1-methylpyrazol-3-amine
CID 169169270
N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide
CID 169169281
1-[4-(Azetidin-3-ylmethyl)-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea
CID 169169302
N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3,3-difluoroazetidine-1-carboxamide
CID 169169308
(3-fluorocyclobutyl) N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate
CID 169169336
N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3,3-dimethylbutanamide
CID 169169352
N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide
CID 169169360
2,2-dimethylpropyl N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate
CID 169169363
4-Cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-amine
CID 169169378

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-5-(3,3-difluorocyclobutyl)-N,2-dimethylpyrazol-3-amine?
The IUPAC name of 4-cyclobutyl-5-(3,3-difluorocyclobutyl)-N,2-dimethylpyrazol-3-amine (CID 169169353) is 4-cyclobutyl-5-(3,3-difluorocyclobutyl)-N,2-dimethylpyrazol-3-amine.
What is the SMILES notation for 4-cyclobutyl-5-(3,3-difluorocyclobutyl)-N,2-dimethylpyrazol-3-amine?
The canonical SMILES for 4-cyclobutyl-5-(3,3-difluorocyclobutyl)-N,2-dimethylpyrazol-3-amine is CNc1c(C2CCC2)c(C2CC(F)(F)C2)nn1C.
What is the InChIKey of 4-cyclobutyl-5-(3,3-difluorocyclobutyl)-N,2-dimethylpyrazol-3-amine?
The InChIKey is JJPAMTKGAOOAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3/c1-16-12-10(8-4-3-5-8)11(17-18(12)2)9-6-13(14,15)7-9/h8-9,16H,3-7H2,1-2H3.
What are the key properties of 4-cyclobutyl-5-(3,3-difluorocyclobutyl)-N,2-dimethylpyrazol-3-amine?
4-cyclobutyl-5-(3,3-difluorocyclobutyl)-N,2-dimethylpyrazol-3-amine has a molecular weight of 255.31 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-5-(3,3-difluorocyclobutyl)-N,2-dimethylpyrazol-3-amine is sourced from PubChem (CID 169169353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).